PCIDB

KNApSAcK Metabolite C00029496

Metabolite

KNApSAcK Entry

id C00029496
Name 3-Epiursolic acid / Morinoursolic acid A
CAS RN 989-30-0
Standard InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1
Standard InChI (Main Layer) InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 13

Link

ChEMBL

By standard InChI CHEMBL491715
By standard InChI Main Layer CHEMBL297810 CHEMBL56048 CHEMBL300594 CHEMBL169 CHEMBL176234 CHEMBL491715 CHEMBL1316667 CHEMBL1555307 CHEMBL1593360 CHEMBL1979720

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Gesneriaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Conandron ramondioides Sieb.et Zucc. 121478 Gesneriaceae asterids Viridiplantae

Human Protein / Gene in interaction

47 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1316667 CHEMBL1741321 (1)
1 / 0
P18031 Tyrosine-protein phosphatase non-receptor type 1 Tyr CHEMBL169 CHEMBL904966 (1) CHEMBL995832 (1)
CHEMBL972808 (1) CHEMBL1036591 (1)
CHEMBL963010 (1) CHEMBL1036431 (1)
CHEMBL1041807 (1) CHEMBL1041808 (2)
CHEMBL1041717 (1) CHEMBL1101504 (1)
CHEMBL1115822 (1) CHEMBL1781409 (1)
CHEMBL1816250 (1) CHEMBL1828245 (1)
CHEMBL2089751 (1) CHEMBL2149371 (1)
CHEMBL2149372 (2) CHEMBL2149377 (1)
CHEMBL2162374 (1) CHEMBL2210497 (1)
CHEMBL2344762 (1) CHEMBL2344763 (1)
0 / 0
O60218 Aldo-keto reductase family 1 member B10 Enzyme CHEMBL169 CHEMBL2168780 (1) CHEMBL2168783 (1)
CHEMBL2169016 (1)
0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL169 CHEMBL1014032 (1) CHEMBL1003453 (1)
CHEMBL1003458 (1) CHEMBL1003459 (1)
0 / 3
P06746 DNA polymerase beta Enzyme CHEMBL169 CHEMBL1002742 (1)
0 / 0
Q13547 Histone deacetylase 1 Hydrolase CHEMBL169 CHEMBL1785663 (1)
0 / 0
P24666 Low molecular weight phosphotyrosine protein phosphatase Tyr CHEMBL169 CHEMBL2149373 (1) CHEMBL2149374 (1)
0 / 0
Q8TDU6 G-protein coupled bile acid receptor 1 Steroid-like ligand receptor CHEMBL169 CHEMBL1041788 (1) CHEMBL1041789 (1)
0 / 0
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1593360 CHEMBL1614331 (1)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL1593360 CHEMBL1614544 (1)
11 / 10
P08047 Transcription factor Sp1 Unclassified protein CHEMBL169 CHEMBL1058704 (1)
0 / 0
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL1316667 CHEMBL1613776 (1)
3 / 1
P10586 Receptor-type tyrosine-protein phosphatase F Receptor tyrosine-protein phosphatase CHEMBL169 CHEMBL963013 (1) CHEMBL1828251 (1)
CHEMBL2149376 (1)
0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1316667 CHEMBL1741325 (1)
0 / 1
P23219 Prostaglandin G/H synthase 1 Oxidoreductase CHEMBL169 CHEMBL1003454 (1) CHEMBL1003456 (1)
CHEMBL1003457 (1)
0 / 0
P28845 Corticosteroid 11-beta-dehydrogenase isozyme 1 Enzyme CHEMBL169 CHEMBL1072762 (1) CHEMBL1065225 (1)
1 / 1
Q9UQL6 Histone deacetylase 5 Hydrolase CHEMBL169 CHEMBL1785672 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL169 CHEMBL1738606 (1)
0 / 0
P15121 Aldose reductase Enzyme CHEMBL169 CHEMBL2168781 (1)
0 / 0
P49841 Glycogen synthase kinase-3 beta Gsk CHEMBL169 CHEMBL1053705 (1)
0 / 0
Q04206 Transcription factor p65 Transcription Factor CHEMBL169 CHEMBL1109182 (1)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL169 CHEMBL1794401 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1593360 CHEMBL1794467 (1)
0 / 0
P11511 Cytochrome P450 19A1 Cytochrome P450 19A1 CHEMBL169 CHEMBL978973 (1) CHEMBL978974 (1)
CHEMBL978975 (1)
2 / 2
Q96RI1 Bile acid receptor NR1H4 CHEMBL169 CHEMBL1041790 (1)
0 / 0
O15379 Histone deacetylase 3 Hydrolase CHEMBL169 CHEMBL1785662 (1)
0 / 0
P18433 Receptor-type tyrosine-protein phosphatase alpha Receptor tyrosine-protein phosphatase CHEMBL169 CHEMBL963014 (1) CHEMBL1828250 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1316667 CHEMBL1741322 (1)
0 / 0
P56524 Histone deacetylase 4 Hydrolase CHEMBL169 CHEMBL1785671 (1)
1 / 1
P19838 Nuclear factor NF-kappa-B p105 subunit Transcription Factor CHEMBL169 CHEMBL1109181 (1)
0 / 0
P30305 M-phase inducer phosphatase 2 Ser_Thr_Tyr CHEMBL169 CHEMBL1828247 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1316667 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1316667 CHEMBL1741324 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL169 CHEMBL1614211 (1)
0 / 0
Q07869 Peroxisome proliferator-activated receptor alpha NR1C1 CHEMBL169 CHEMBL1837228 (1) CHEMBL1837229 (2)
CHEMBL1837230 (1) CHEMBL1837231 (1)
CHEMBL1837232 (1) CHEMBL1837233 (1)
CHEMBL1839605 (1) CHEMBL1839606 (1)
CHEMBL1839607 (1) CHEMBL1839608 (1)
CHEMBL1839609 (1) CHEMBL1839610 (1)
CHEMBL1839611 (1) CHEMBL1839612 (1)
CHEMBL1839613 (1) CHEMBL1839614 (1)
CHEMBL1839615 (1)
0 / 0
P17706 Tyrosine-protein phosphatase non-receptor type 2 Tyr CHEMBL169 CHEMBL963011 (1) CHEMBL1828246 (1)
CHEMBL2344761 (1)
0 / 1
Q9UBN7 Histone deacetylase 6 Hydrolase CHEMBL169 CHEMBL1785670 (1)
0 / 0
P29350 Tyrosine-protein phosphatase non-receptor type 6 Tyr CHEMBL169 CHEMBL963012 (1) CHEMBL1828248 (1)
0 / 0
P80365 Corticosteroid 11-beta-dehydrogenase isozyme 2 Enzyme CHEMBL169 CHEMBL1072765 (1)
1 / 1
P23469 Receptor-type tyrosine-protein phosphatase epsilon Receptor tyrosine-protein phosphatase CHEMBL169 CHEMBL963015 (1)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL169 CHEMBL1613829 (1)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL169 CHEMBL2354311 (1)
1 / 0
O00255 Menin Unclassified protein CHEMBL169 CHEMBL1316667 CHEMBL1614257 (2) CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL169 CHEMBL1316667 CHEMBL1614257 (2) CHEMBL1614531 (1)
1 / 3
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL1316667 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL1316667 CHEMBL1613933 (1)
1 / 6
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL169 CHEMBL2114738 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (26)

OMIM preferred title UniProt
#218030 Apparent mineralocorticoid excess; ame P80365
#613546 Aromatase deficiency P11511
#139300 Aromatase excess syndrome; aexs P11511
#600430 Brachydactyly-mental retardation syndrome; bdmr P56524
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#604931 Cortisone reductase deficiency 1; cortrd1 P28845
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#137800 Glioma susceptibility 1; glm1 O75874
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#145000 Hyperparathyroidism 1; hrpt1 O00255
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#275210 Restrictive dermopathy, lethal P02545
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828

KEGG DISEASE (33)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00036 Osteosarcoma P08684 (marker)
H00249 Thyroid hormone resistance syndrome P10828 (related)
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P11511 (related)
H00794 Aromatase excess syndrome P11511 (related)
H01205 Coumarin resistance P11712 (related)
H00408 Type I diabetes mellitus P17706 (related)
H01111 Cortisone reductase deficiency (CRD) P28845 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)
H00561 Brachydacytly-mental retardation syndrome and Smith-Magenis syndrome P56524 (related)
H00259 Apparent mineralocorticoid excess syndrome P80365 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
Q03164 (related)
Q03164 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)